N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide

C19H25NO2S — CID 171485871

IUPACN-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-15-5-11-18(12-6-15)23(21,22)20-14-13-16-7-9-17(10-8-16)19(2,3)4/h5-12,20H,13-14H2,1-4H3
InChIKeyYRZIYUHDBXQFPP-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.81
Rot. Bonds5

About N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide

N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 171485871) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID171485871
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-15-5-11-18(12-6-15)23(21,22)20-14-13-16-7-9-17(10-8-16)19(2,3)4/h5-12,20H,13-14H2,1-4H3
InChIKeyYRZIYUHDBXQFPP-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
4-tert-butyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110718513
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
1-[4-[2-[(4-methylphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-phenylthiourea
CID 118713281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide (CID 171485871) is N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is YRZIYUHDBXQFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-15-5-11-18(12-6-15)23(21,22)20-14-13-16-7-9-17(10-8-16)19(2,3)4/h5-12,20H,13-14H2,1-4H3.
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 171485871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).